16816-67-4
Product Name:
D-Pantethine
Formula:
C22H42N4O8S2
Synonyms:
Bis(N-pantothenylamidoethyl) disulfide;LBF factor;Pantethein oxidized form
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Collision Cross Section | 222.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
COMPUTED DESCRIPTORS
Molecular Weight | 554.7 g/mol |
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XLogP3 | -2.2 |
Hydrogen Bond Donor Count | 8 |
Hydrogen Bond Acceptor Count | 10 |
Rotatable Bond Count | 19 |
Exact Mass | 554.24440666 g/mol |
Monoisotopic Mass | 554.24440666 g/mol |
Topological Polar Surface Area | 248 Ų |
Heavy Atom Count | 36 |
Formal Charge | 0 |
Complexity | 652 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 2 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Pantethine is an organic disulfide that consists of two molecules of pantothenic acid linked by amide bonds to a cysteamine disulfide bridging group. It has a role as a nutraceutical and a coenzyme. It is functionally related to a pantothenic acid.